K786-2666 Screening compound: N~8~-[3-(diisobutylamino)propyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K786-2666
N~8~-[3-(diisobutylamino)propyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K786-2666

Molecular Formula

C₂₇H₃₇N₃O₂S (C27 H37 N3 O2 S)

Compound Name

N~8~-[3-(diisobutylamino)propyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{3-[bis(2-methylpropyl)amino]propyl}-9-ethyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCN(c(cc(cc1)C(NCCCN(CC(C)C)CC(C)C)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C27H37N3O2S/c1-6-30-23-16-21(12-13-25(23)33-24-11-8-7-10-22(24)27(30)32)26(31)28-14-9-15-29(17-19(2)3)18-20(4)5/h7-8,10-13,16,19-20H,6,9,14-15,17-18H2,1-5H3,(H,28,31)

InChI Key

DKOZHAYUIXJEPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.516

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-5.21

Polar Surface Area

43.885

Acid Dissociation Constant (pK_a)

15.00

Base Dissociation Constant (pK_b)

10.19

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

48.10

K786-2666 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

3D
Mimetics

Therapeutical areas:

Cancer
Female
Congenital
Skin
Antiviral
Infections
Immune system

Targets:

Kinases

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with K786-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2666?
Check Price and Availability of K786-2666, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K786-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K786-2666
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K786-2666

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K786-2666 available by request